(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

C24H25FN4O — CID 56868456

IUPAC(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN4O/c25-21-12-10-18(11-13-21)8-9-19-5-4-14-29(17-19)23(30)20-15-26-24(27-16-20)28-22-6-2-1-3-7-22/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14,17H2,(H,26,27,28)
InChIKeyBPTPYUTYBUPFFW-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.84
Rot. Bonds6

About (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 56868456) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID56868456
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN4O/c25-21-12-10-18(11-13-21)8-9-19-5-4-14-29(17-19)23(30)20-15-26-24(27-16-20)28-22-6-2-1-3-7-22/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14,17H2,(H,26,27,28)
InChIKeyBPTPYUTYBUPFFW-UHFFFAOYSA-N
XLogP4.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 56868456) is (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is BPTPYUTYBUPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-12-10-18(11-13-21)8-9-19-5-4-14-29(17-19)23(30)20-15-26-24(27-16-20)28-22-6-2-1-3-7-22/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14,17H2,(H,26,27,28).
What are the key properties of (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56868456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).